./iterations/neb0_image05_iter70_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.373198572282E+03 0.37320E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.398051551101E+01 -0.36922E+03 -0.35728E+03 877 0.195E+02
DAV: 3 -0.938487876724E+02 -0.97829E+02 -0.97476E+02 640 0.116E+02
DAV: 4 -0.985393638935E+02 -0.46906E+01 -0.46782E+01 704 0.298E+01
DAV: 5 -0.986413091858E+02 -0.10195E+00 -0.10190E+00 736 0.390E+00 0.218E+01
DAV: 6 -0.904083753940E+02 0.82329E+01 -0.28733E+01 693 0.288E+01 0.112E+01
DAV: 7 -0.895678109319E+02 0.84056E+00 -0.17641E+00 720 0.654E+00 0.467E+00
DAV: 8 -0.891887280895E+02 0.37908E+00 -0.59543E-01 696 0.430E+00 0.154E+00
DAV: 9 -0.891060780960E+02 0.82650E-01 -0.12315E-01 720 0.158E+00 0.429E-01
DAV: 10 -0.890952563521E+02 0.10822E-01 -0.48359E-02 717 0.117E+00 0.331E-01
DAV: 11 -0.890976348619E+02 -0.23785E-02 -0.10566E-02 640 0.578E-01 0.117E-01
DAV: 12 -0.890998506222E+02 -0.22158E-02 -0.29956E-03 650 0.277E-01 0.115E-01
DAV: 13 -0.891053581908E+02 -0.55076E-02 -0.21060E-03 812 0.308E-01 0.650E-02
DAV: 14 -0.891076455259E+02 -0.22873E-02 -0.61493E-04 680 0.124E-01 0.439E-02
DAV: 15 -0.891108287340E+02 -0.31832E-02 -0.88757E-04 650 0.167E-01 0.366E-02
DAV: 16 -0.891115612353E+02 -0.73250E-03 -0.10718E-04 776 0.754E-02 0.199E-02
DAV: 17 -0.891126339366E+02 -0.10727E-02 -0.22720E-04 671 0.781E-02 0.143E-02
DAV: 18 -0.891129475779E+02 -0.31364E-03 -0.32385E-05 597 0.384E-02 0.836E-03
DAV: 19 -0.891131163394E+02 -0.16876E-03 -0.29852E-05 565 0.278E-02 0.448E-03
DAV: 20 -0.891131947477E+02 -0.78408E-04 -0.96785E-06 447 0.153E-02 0.338E-03
DAV: 21 -0.891132145704E+02 -0.19823E-04 -0.28137E-06 488 0.767E-03 0.269E-03
DAV: 22 -0.891132235029E+02 -0.89326E-05 -0.32806E-06 417 0.114E-02
1 F= -.89113224E+02 E0= -.89117096E+02 d E =0.116178E-01